1-methyl-4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: 1-methyl-4-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NN(C=N2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N7O3/c1-19-8-11(21(23)24)12(17-19)13(22)16-14-15-9-20(18-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,16,18,22)